1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]ethanone Formula: C23H24FN3OS MolecularWeight: 409.519563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4)C

InChI

InChI=1S/C23H24FN3OS/c1-15-7-6-8-16(2)27(15)21(28)14-29-23-19-13-18(24)11-12-20(19)25-22(26-23)17-9-4-3-5-10-17/h3-5,9-13,15-16H,6-8,14H2,1-2H3/t15-,16-/m1/s1